N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide

C32H29N3O5S2 — CID 58395864

IUPACN-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)n2c(-c3cccc(S(=O)(=O)NCCCO)c3)cc3c(-c4cccc5c4C=CC5)ccnc32)cc1
InChIInChI=1S/C32H29N3O5S2/c1-22-12-14-25(15-13-22)42(39,40)35-31(24-8-2-9-26(20-24)41(37,38)34-17-5-19-36)21-30-29(16-18-33-32(30)35)28-11-4-7-23-6-3-10-27(23)28/h2-4,7-16,18,20-21,34,36H,5-6,17,19H2,1H3
InChIKeyJBABYHKFHCJDNL-UHFFFAOYSA-N
MW599.73 g/mol
LogP5.15
Rot. Bonds9

About N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide

N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide (PubChem CID 58395864) has the molecular formula C32H29N3O5S2 and a molecular weight of 599.73 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide
PubChem CID58395864
Molecular FormulaC32H29N3O5S2
Molecular Weight599.73 g/mol
Exact Mass599.15
IUPAC NameN-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)n2c(-c3cccc(S(=O)(=O)NCCCO)c3)cc3c(-c4cccc5c4C=CC5)ccnc32)cc1
InChIInChI=1S/C32H29N3O5S2/c1-22-12-14-25(15-13-22)42(39,40)35-31(24-8-2-9-26(20-24)41(37,38)34-17-5-19-36)21-30-29(16-18-33-32(30)35)28-11-4-7-23-6-3-10-27(23)28/h2-4,7-16,18,20-21,34,36H,5-6,17,19H2,1H3
InChIKeyJBABYHKFHCJDNL-UHFFFAOYSA-N
XLogP5.15
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.73
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide (CID 58395864) is N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)n2c(-c3cccc(S(=O)(=O)NCCCO)c3)cc3c(-c4cccc5c4C=CC5)ccnc32)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide?
The InChIKey is JBABYHKFHCJDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O5S2/c1-22-12-14-25(15-13-22)42(39,40)35-31(24-8-2-9-26(20-24)41(37,38)34-17-5-19-36)21-30-29(16-18-33-32(30)35)28-11-4-7-23-6-3-10-27(23)28/h2-4,7-16,18,20-21,34,36H,5-6,17,19H2,1H3.
What are the key properties of N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide?
N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide has a molecular weight of 599.73 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-[4-(1H-inden-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide is sourced from PubChem (CID 58395864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).